CADD based designing and biological evaluation of novel triazole based thiazolidinedione coumarin hybrids as antidiabetic agent by Anchal Sharma, Anmol Narang, Nitish Kumar, Rupali Rana, Megha, Pooja, Muskan Dhir, Harmandeep Kaur Gulati, Jyoti, Aanchal Khanna, Jatinder Vir Singh, Sukhraj Kaur, Preet Mohinder Singh Bedi

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Modelling of structural, mechanical, electronic, and optical properties of Rb2TlXF6 (X = Ir, Rh) double perovskite compounds through density functional theory by Wasi Ullah, Nasir Rahman, Mudasser Husain, Wafa Mohammed Almalki, Khamael M. Abualnaja, Ghaida Alosaimi, Soufyane Belhachi, Bashar.M. Al-Khamiseh, Vineet Tirth, Ahmed Azzouz-Rached, Hanan A. Althobaiti, Farooq Ali

Subjects: “…DFT…”
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Customizing the optical, electronic and transport attributes of lead-free hybrid FASnBr3 perovskites triggered by spin-orbit coupling and strains by Nusrat Jahan, Farah B.H. Pritu, Md Rasidul Islam, Budrun Neher, M Mahbubur Rahman, Farid Ahmed

Subjects: “…Density functional theory (DFT)…”
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Crystal structure, Hirshfeld surfaces analysis, vibrational spectroscopy, thermal behavior, and DFT study of S-triazine perchlorate by Chaima Zouari, Thameur Dammak, Jerome Lhoste, Mohamed Boujelbene, Mohamed Abdelhedi

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Electrochemical Corrosion Performance of N80 steel in Acidized 10% HCl medium using 4-methyl-1-Phenyl-3-(p-tolyldiazenyl) −2,3-dihydro-1H-pyrrol-2-ol by Reham H. Wahba, Adel Z. El-Sonbati, Mostafa A. Diab, Esam A. Gomaa, Marwa N. El-Nahass, Y.M. Abdallah

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The effect of uniaxial compressive and tensile strains on the structural, dynamical, electronic, and optical properties of ZrCl2 monolayer: Ab-initio calculations by Hind Alqurashi, Bothina Hamad, M.O. Manasreh

Subjects: “…Density functional theory (DFT)…”
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Theoretical Studies on the Reaction Mechanism for the Cycloaddition of Zwitterionic π-Allenyl Palladium Species: Substrate-Controlled Isomerization by Yongjie Long, Jiahao Shen, Min Shi, Yin Wei

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Synthesis, crystal structure, Hirshfeld surface analysis and DFT calculations of the coordination compound tetraaquabis{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetato-κO}cobal... by Ekaterina Kinshakova, Batirbay Torambetov, Simranjeet Kaur, Jamshid Ashurov, Shakhnoza Kadirova

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An in-depth study of indolone derivatives as potential lung cancer treatment by Mohammed Er-rajy, Mohamed El fadili, Radwan Alnajjar, Sara Zarougui, Somdutt Mujwar, Khalil Azzaoui, Hatem A. Abuelizz, Belkheir Hammouti, Menana Elhallaoui

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Effect of microstructure and neutron irradiation defects on deuterium retention in SiC by Alex Leide, Weicheng Zhong, Isabel Fernandez-Victorio, Isabel Fernandez-Victorio, Duc Nguyen-Manh, Duc Nguyen-Manh, Takaaki Koyanagi

Subjects: “…density function theory (DFT)…”
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CWPO mechanism for toxic dye degradation in the presence of Cu@FbHAp catalyst: DFT study, performance analysis, response surface methodology, regeneration, and cost estimation by Youssef Miyah, Mohammed Benjelloun, Fatiha Mejbar, Salma Ssouni, Mohamed El-Habacha, Soulaiman Iaich, Noureddine El Messaoudi, Marouane Zerrouq, Mohammed Souilah, Anissa Lahrichi, Farid Zerrouq

Subjects: “…Density functional theory (DFT)…”
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Influence of the carboxylate anion on the CO2 absorption mechanism using based-imidazolium ionic liquids by Diana Murillo-Criado, Fernando Aguilar-Galindo, Isabel Serrano, Miguel A. Gonzalez, Emilia Tojo, Inmaculada Suárez, Baudilio Coto, Maria Jose Tenorio

Subjects: “…Density functional theory (DFT)…”
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Luminescence properties of ZnSe single crystals co-doped with Fe and Cr by K. Lamonova, A. Prokhorov, M. Schmidbauer, A. Kwasniewski, Yu Kazarinov, M. Konuhova, A. Platonenko, Z. Remeš, K. Ridzoňová, M. Buryi

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Performance and Economic Evaluation of Asphalt-Based High Friction Surface Treatment (HFST) Applications by Alireza Roshan, Magdy Abdelrahman

Subjects: “…dynamic friction tester (DFT)…”
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OPTIMACIÓN DE LAS REDES DE TRASMISIÓN ELÉCTRICA EN NORTEAMÉRICA. Teoría y aplicaciones by Eric Zenón, Juan Rosellón

Subjects: “…derechos financieros de trasmisión (dft)…”
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New Channel Estimation Algorithm for Non-Sample-Spaced Channels in Fast Time-Varying OFDM System by 刘顺兰, 汪佳丽

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Expanding the frontiers of electrocatalysis: advanced theoretical methods for water splitting by Seong Chan Cho, Jun Ho Seok, Hung Ngo Manh, Jae Hun Seol, Chi Ho Lee, Sang Uck Lee

Subjects: “…Density functional theory (DFT)…”
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Probing DCV5T-Me for Organic Photovoltaics: A Comprehensive DFT and NEGF Study by Souraya Goumri-Said, Rachida Rahmani, Abdelkader Chouaih, Mohammed Benali Kanoun

Subjects: “…Density functional theory (DFT)…”
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Eu-Substituents-Induced Modifications in the Thermoelectric Properties of the Zintl Phase Ba_1-<i>x</i>Eu<i>_x</i>Zn₂Sb₂ System by Daewon Shim, Junsu Lee, Aziz Ahmed, Ji Hee Pi, Myung-Ho Choi, Kang Min Ok, Kyu Hyoung Lee, Tae-Soo You

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